Geometry & MOs

Info

ID:	234124
PubChem CID:	92297780
Reduced:	FO2N7C30H30 (1)
Stoich.:	AB2C7D30E30 (1)
Weight, g/mol:	548.32636
ΔH_f, kcal/mol:	31.29
Dipole, Da:	7.72
IP(EA), eV:	-8.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-[benzyl-[(4-tert-butylphenyl)methyl]amino]-(1-tert-butyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@H](C3=NN=NN3CC4=CC=C(C=C4)OC)N5CCN(CC5)C6=CC=CC=C6F

DOS

IR

Vibrations